SCHEMBL2802809

SCHEMBL2802809

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.62
ROCK2 O75116 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
FLT3 P36888 1/20 0.47
FAAH O00519 1/20 0.47
PAK1 Q13153 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2806247 0.92 PDGFRB (0.52) PDGFRBNPC1RAB9AFLT3FAAH
SCHEMBL2486602 0.91 RAB9A (0.55) PDGFRBROCK2NPC1RAB9APAK1
SCHEMBL2805744 0.87 PDGFRB (0.48) PDGFRBNPC1RAB9AFLT3FAAH
SCHEMBL2804020 0.87 PDGFRB (0.47) PDGFRBNPC1RAB9APAK1SMN1; SMN2
SCHEMBL2802235 0.86 NPC1 (0.60) PDGFRBNPC1RAB9AFAAHPAK1
SCHEMBL2804559 0.85 TRPV1 (0.46) PDGFRBROCK2NPC1RAB9APAK1
SCHEMBL12342043 0.85 MEN1 (0.55) PDGFRBROCK2PAK1TRPV1
SCHEMBL2804129 0.83 NAMPT (0.52) PDGFRBROCK2NPC1RAB9AFAAH
SCHEMBL2802299 0.83 NPC1 (0.61) NPC1RAB9AFLT3FAAHPAK1
SCHEMBL2488604 0.83 BRAF (0.52) PDGFRBNPC1RAB9APAK1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 PDGFRB 1363/4885ROCK2 1391/4885NPC1 205/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.